N-(4-ethenyl-1H-pyrazol-5-yl)methanimine

C6H7N3 — CID 142384178

IUPACN-(4-ethenyl-1H-pyrazol-5-yl)methanimine
SMILESC=Cc1cn[nH]c1N=C
InChIInChI=1S/C6H7N3/c1-3-5-4-8-9-6(5)7-2/h3-4H,1-2H2,(H,8,9)
InChIKeyXFTNGZWLOXOGJX-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.38
Rot. Bonds2

About N-(4-ethenyl-1H-pyrazol-5-yl)methanimine

N-(4-ethenyl-1H-pyrazol-5-yl)methanimine (PubChem CID 142384178) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-(4-ethenyl-1H-pyrazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethenyl-1H-pyrazol-5-yl)methanimine
PubChem CID142384178
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC NameN-(4-ethenyl-1H-pyrazol-5-yl)methanimine
SMILESC=Cc1cn[nH]c1N=C
InChIInChI=1S/C6H7N3/c1-3-5-4-8-9-6(5)7-2/h3-4H,1-2H2,(H,8,9)
InChIKeyXFTNGZWLOXOGJX-UHFFFAOYSA-N
XLogP1.38
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-1H-pyrazol-5-yl)methanimine?
The IUPAC name of N-(4-ethenyl-1H-pyrazol-5-yl)methanimine (CID 142384178) is N-(4-ethenyl-1H-pyrazol-5-yl)methanimine.
What is the SMILES notation for N-(4-ethenyl-1H-pyrazol-5-yl)methanimine?
The canonical SMILES for N-(4-ethenyl-1H-pyrazol-5-yl)methanimine is C=Cc1cn[nH]c1N=C.
What is the InChIKey of N-(4-ethenyl-1H-pyrazol-5-yl)methanimine?
The InChIKey is XFTNGZWLOXOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-3-5-4-8-9-6(5)7-2/h3-4H,1-2H2,(H,8,9).
What are the key properties of N-(4-ethenyl-1H-pyrazol-5-yl)methanimine?
N-(4-ethenyl-1H-pyrazol-5-yl)methanimine has a molecular weight of 121.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-1H-pyrazol-5-yl)methanimine is sourced from PubChem (CID 142384178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).